(5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C16H21N3O4 — CID 44581215

IUPAC(5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2ccc(N3CCCOCC3)cc2)C(=O)O1
InChIInChI=1S/C16H21N3O4/c1-17-15(20)14-11-19(16(21)23-14)13-5-3-12(4-6-13)18-7-2-9-22-10-8-18/h3-6,14H,2,7-11H2,1H3,(H,17,20)/t14-/m1/s1
InChIKeyQXWFAJAHYKLJHF-CQSZACIVSA-N
MW319.36 g/mol
LogP0.98
Rot. Bonds3

About (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 44581215) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID44581215
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2ccc(N3CCCOCC3)cc2)C(=O)O1
InChIInChI=1S/C16H21N3O4/c1-17-15(20)14-11-19(16(21)23-14)13-5-3-12(4-6-13)18-7-2-9-22-10-8-18/h3-6,14H,2,7-11H2,1H3,(H,17,20)/t14-/m1/s1
InChIKeyQXWFAJAHYKLJHF-CQSZACIVSA-N
XLogP0.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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CID 441401
Eperezolid
CID 73214
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CID 11346837
rac-Linezolid
CID 3929
R-Linezolid
CID 73180
4-(4-((5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride
CID 16037077
(5R)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinecarboxaldehyde
CID 125342451
N-[[(5S)-3-[3,5-difluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15951373
(5R)-3-[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 44581213
(5R)-3-[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 44581246

Frequently Asked Questions

What is the IUPAC name of (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 44581215) is (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is CNC(=O)[C@H]1CN(c2ccc(N3CCCOCC3)cc2)C(=O)O1.
What is the InChIKey of (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is QXWFAJAHYKLJHF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-17-15(20)14-11-19(16(21)23-14)13-5-3-12(4-6-13)18-7-2-9-22-10-8-18/h3-6,14H,2,7-11H2,1H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 44581215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).